⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6727611 | 0.98 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6551211 | 0.82 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6550382 | 0.80 | — | — | |
| SCHEMBL6550831 | 0.79 | EPHX2 (0.33) | — | |
| SCHEMBL6726069 | 0.77 | — | — | |
| SCHEMBL6726325 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL685964 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL6549269 | 0.76 | EPHX2 (0.33) | — | |
| SCHEMBL6728032 | 0.76 | — | — | |
| SCHEMBL6550874 | 0.75 | CA1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040224251-A1 | Positive resist composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-11-11 | — | — | US | disclosed |